00115001.cdx ChemDraw12111913162D 111104 0 0 0 0 0 0 0 0999 V2000 -3.0177 9.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1927 9.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0177 10.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0177 8.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8427 9.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7802 10.3440 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2823 11.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1073 11.0585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0741 11.6167 0.0000 R11 0 0 0 0 0 0 0 0 0 0 0 0 -2.4947 10.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9937 11.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9552 10.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1302 10.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7783 -12.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9533 -12.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7783 -11.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7783 -12.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1564 -11.8545 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3314 -11.8545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3699 -11.0576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3699 -12.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 -11.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0489 -11.0576 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8458 -11.2711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1646 -10.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1646 -11.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 -12.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0335 -13.0437 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7915 -13.0437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -13.7582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2471 -12.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5602 -11.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2747 -11.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9892 -11.6836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8003 -11.1744 0.0000 R11 0 0 0 0 0 0 0 0 0 0 0 0 1.5059 -12.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2204 -13.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9349 -12.6312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8427 -13.1404 0.0000 R11 0 0 0 0 0 0 0 0 0 0 0 0 0.8458 -10.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5602 -10.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5602 -9.2086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3714 -8.6994 0.0000 R11 0 0 0 0 0 0 0 0 0 0 0 0 0.7915 -13.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5059 -14.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5059 -15.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4138 -15.6154 0.0000 R11 0 0 0 0 0 0 0 0 0 0 0 0 -1.8089 -4.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3964 -5.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 -5.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1589 -4.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 -4.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3964 -4.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1011 -4.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3866 -3.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8156 -4.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1589 -3.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6661 -3.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0786 -2.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9036 -2.6321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9219 -2.6321 0.0000 R11 0 0 0 0 0 0 0 0 0 0 0 0 -0.1589 -6.2045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6661 -6.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0786 -6.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9036 -6.9190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9219 -6.9190 0.0000 R11 0 0 0 0 0 0 0 0 0 0 0 0 -2.6339 -4.7755 0.0000 H 2 0 0 0 0 0 0 0 0 0 0 0 -1.6579 -3.9101 0.0000 H 2 0 0 0 0 0 0 0 0 0 0 0 -2.3724 -3.4976 0.0000 H 2 0 0 0 0 0 0 0 0 0 0 0 -1.2454 -3.1956 0.0000 H 2 0 0 0 0 0 0 0 0 0 0 0 -1.9599 -2.7831 0.0000 H 2 0 0 0 0 0 0 0 0 0 0 0 0.9928 1.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8178 1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1678 1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2447 1.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2447 0.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6428 1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6428 2.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6428 0.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0697 1.9953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0697 0.5664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4822 2.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4822 -0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3072 2.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7197 3.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3072 -0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7197 -0.8626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5166 3.6378 0.0000 R11 0 0 0 0 0 0 0 0 0 0 0 0 -3.7158 -0.2874 0.0000 R11 0 0 0 0 0 0 0 0 0 0 0 0 -3.0177 5.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1927 5.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0177 6.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0177 4.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8427 5.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7802 6.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2823 7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1073 7.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0741 7.6582 0.0000 R11 0 0 0 0 0 0 0 0 0 0 0 0 -2.1927 7.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9552 6.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1302 6.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0177 13.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1927 13.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0177 14.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0177 12.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8427 13.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7802 14.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9552 14.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5427 15.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2823 15.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2491 15.6154 0.0000 R11 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 4 1 4 1 4 1 5 1 0 2 6 1 0 13 7 1 0 7 8 1 0 8 9 1 0 6 10 2 0 6 11 2 0 6 12 1 0 12 13 1 0 14 15 1 0 14 16 1 4 14 17 1 4 15 18 1 0 18 19 1 0 18 20 2 0 18 21 2 0 19 22 1 0 22 23 1 0 23 24 1 0 23 25 2 0 23 26 2 0 19 27 1 0 27 28 1 0 28 29 1 0 28 30 2 0 28 31 2 0 24 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 29 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 24 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 29 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 48 49 2 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 2 0 53 48 1 0 54 55 1 4 54 56 1 4 52 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 50 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 48 67 1 0 54 67 1 0 68 69 1 0 70 71 1 0 72 73 1 0 72 74 1 0 74 75 1 0 74 76 1 0 73 77 1 0 77 78 1 4 77 79 1 4 75 80 1 0 76 81 1 0 80 82 1 0 81 83 1 0 82 84 1 0 84 85 1 0 83 86 1 0 86 87 1 0 85 88 1 0 87 89 1 0 90 91 1 0 90 92 1 4 90 93 1 4 90 94 1 0 91 95 1 0 101 96 1 0 96 97 1 0 97 98 1 0 95 99 2 0 95100 1 0 100101 1 0 102103 1 0 102104 1 4 102105 1 4 102106 1 0 103107 1 0 107108 1 0 108109 1 0 109110 1 0 110111 1 0 M ISO 5 67 3 68 3 69 3 70 3 71 3 A 2 T\S5 A 12 R N A 15 T\S5 A 22 T\S6 A 27 T\S6 A 73 T\S5 A 91 T\S5 A 100 R N A 103 T\S5 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 67 68 69 70 71 M SBL 1 2 64 65 M SMT 1 T\s^5 M SBV 1 64 0.8250 -0.0000 M SBV 1 65 -0.4672 0.7145 M SAP 1 2 67 48 Ar 67 54 Bl M STY 1 2 SRU M SLB 1 2 2 M SCN 1 2 HT M SAL 2 3 36 37 38 M SBL 2 2 37 34 M SMT 2 s M SDI 2 4 3.2430 -12.4033 3.2430 -13.1263 M SDI 2 4 1.3259 -13.1263 1.3259 -12.4033 M SBT 1 2 1 M STY 1 3 SRU M SLB 1 3 3 M SCN 1 3 HT M SAL 3 3 40 41 42 M SBL 3 2 41 38 M SMT 3 s M SDI 3 4 1.2937 -8.6510 2.3499 -9.7725 M SDI 3 4 1.2688 -10.8026 0.2126 -9.6811 M SBT 1 3 1 M STY 1 4 SRU M SLB 1 4 4 M SCN 1 4 HT M SAL 4 3 83 86 87 M SBL 4 2 84 78 M SMT 4 s M SDI 4 4 -2.7319 -1.5337 -3.1223 -0.2680 M SDI 4 4 -1.6534 0.1851 -1.2630 -1.0806 M SBT 1 4 1 M STY 1 5 SRU M SLB 1 5 5 M SCN 1 5 HT M SAL 5 3 32 33 34 M SBL 5 2 33 30 M SMT 5 s M SDI 5 4 3.2929 -11.1886 3.2929 -11.8789 M SDI 5 4 1.3846 -11.8789 1.3846 -11.1886 M SBT 1 5 1 M STY 1 6 SRU M SLB 1 6 6 M SCN 1 6 HT M SAL 6 3 58 59 60 M SBL 6 2 55 58 M SMT 6 s M SDI 6 4 0.4410 -3.6093 0.4410 -2.4042 M SDI 6 4 2.2519 -2.4042 2.2519 -3.6093 M SBT 1 6 1 M STY 1 7 SRU M SLB 1 7 7 M SCN 1 7 HT M SAL 7 3 63 64 65 M SBL 7 2 63 60 M SMT 7 s M SDI 7 4 2.2475 -5.9922 2.2475 -7.3499 M SDI 7 4 0.4454 -7.3499 0.4454 -5.9922 M SBT 1 7 1 M STY 1 8 GEN M SLB 1 8 8 M SAL 8 3 82 84 85 M SBL 8 2 83 77 M SDI 8 4 -2.9419 2.2309 -2.9419 3.9035 M SDI 8 4 -1.5594 3.9035 -1.5594 2.2309 M SBT 1 8 1 M STY 1 9 SRU M SLB 1 9 9 M SCN 1 9 HT M SAL 9 3 108 109 110 M SBL 9 2 104 101 M SMT 9 s M SDI 9 4 0.6306 15.5386 0.6306 14.0115 M SDI 9 4 -1.1803 14.0115 -1.1803 15.5386 M SBT 1 9 1 M STY 1 10 SRU M SLB 1 10 10 M SCN 1 10 HT M SAL 10 3 96 97 101 M SBL 10 2 92 95 M SMT 10 s M SDI 10 4 1.4556 7.5814 1.4556 6.0543 M SDI 10 4 -0.3553 6.0543 -0.3553 7.5814 M SBT 1 10 1 M STY 1 11 SRU M SLB 1 11 11 M SCN 1 11 HT M SAL 11 3 7 8 13 M SBL 11 2 8 12 M SMT 11 s M SDI 11 4 1.4556 11.5399 1.4556 10.0128 M SDI 11 4 -0.3553 10.0128 -0.3553 11.5399 M SBT 1 11 1 M STY 1 12 SRU M SLB 1 12 12 M SCN 1 12 HT M SAL 12 3 44 45 46 M SBL 12 2 45 42 M SMT 12 s M SDI 12 4 2.3216 -14.6023 1.2380 -15.6509 M SDI 12 4 0.1709 -14.5605 1.2545 -13.5119 M SBT 1 12 1 M END